Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

Creating higher basis set orbitals from the lower level basis set orbitals


Dear all.

If I have orbitals with basis set 6-31G(d) for example, and I want to get the new orbitals with basis set 6-31G(d,p), is it possible to get the new ( 6-31G(d,p) ) with upgrading the old ( 6,31G(d) )? Probably it can saving time without calculating the new ( 6-31G(d,p) ) from the very beginning.

Best regards,

[ Previous ] [ Next ] [ Index ]           Mon Feb 17 '14 5:56pm
[ Reply ] [ Edit ] [ Delete ]           This message read 534 times